Methyl Alcohol
- Formula: CH4O
- Molecular weight: 32.0419
- IUPAC Standard InChIKey: OKKJLVBELUTLKV-UHFFFAOYSA-N
- CAS Registry Number: 67-56-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: Methanol; Carbinol; Methyl hydroxide; Methylol; Monohydroxymethane; Wood alcohol; CH3OH; Colonial spirit; Columbian spirit; Hydroxymethane; Wood naphtha; Alcool methylique; Alcool metilico; Columbian spirits; Metanolo; Methylalkohol; Metylowy alkohol; Pyroxylic spirit; Wood spirit; Rcra waste number U154; UN 1230; Pyro alcohol; Spirit of wood; Bieleski's solution; NSC 85232
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Gas phase thermochemistry data
- Condensed phase thermochemistry data
- Reaction thermochemistry data: reactions 1 to 50, reactions 51 to 100, reactions 101 to 150, reactions 151 to 200, reactions 201 to 250, reactions 251 to 300
- Henry's Law data
- IR Spectrum
- Mass spectrum (electron ionization)
- Gas Chromatography
- Fluid Properties
- Data at other public NIST sites:
- Options:
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- NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
- NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)
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Phase change data
Go To: Top, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 337.8 ± 0.3 | K | AVG | N/A | Average of 154 out of 171 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 176. ± 1. | K | AVG | N/A | Average of 13 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 175.5 ± 0.5 | K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 513. ± 1. | K | AVG | N/A | Average of 27 out of 31 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 81. ± 1. | bar | AVG | N/A | Average of 17 out of 20 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.117 | l/mol | N/A | Gude and Teja, 1995 | |
Vc | 0.113024 | l/mol | N/A | Craven and de Reuck, 1986 | TRC |
Vc | 0.118 | l/mol | N/A | Francesconi, Lentz, et al., 1981 | Uncertainty assigned by TRC = 0.004 l/mol; TRC |
Vc | 0.11663 | l/mol | N/A | Zubarev and Bagdonas, 1969 | Uncertainty assigned by TRC = 0.0035 l/mol; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 8.51 ± 0.07 | mol/l | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 37.6 ± 0.5 | kJ/mol | AVG | N/A | Average of 11 out of 12 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
35.21 | 337.7 | N/A | Majer and Svoboda, 1985 | |
39.2 | 258. | A | Stephenson and Malanowski, 1987 | Based on data from 175. to 273. K.; AC |
36.9 | 353. | A | Stephenson and Malanowski, 1987 | Based on data from 338. to 487. K.; AC |
43.7 | 213. | A | Stephenson and Malanowski, 1987 | Based on data from 188. to 228. K.; AC |
38.9 | 275. | A | Stephenson and Malanowski, 1987 | Based on data from 224. to 290. K.; AC |
38.3 | 300. | A | Stephenson and Malanowski, 1987 | Based on data from 285. to 345. K.; AC |
37.0 | 350. | A | Stephenson and Malanowski, 1987 | Based on data from 335. to 376. K.; AC |
36.1 | 388. | A | Stephenson and Malanowski, 1987 | Based on data from 373. to 458. K.; AC |
35.1 | 468. | A | Stephenson and Malanowski, 1987 | Based on data from 453. to 513. K.; AC |
32.7 | 373. | C | Yerlett and Wormald, 1986 | AC |
28.1 | 423. | C | Yerlett and Wormald, 1986 | AC |
20.6 | 473. | C | Yerlett and Wormald, 1986 | AC |
7.4 | 510. | C | Yerlett and Wormald, 1986 | AC |
37.5 | 331. | EB | Cervenkova and Boublik, 1984 | Based on data from 316. to 336. K.; AC |
38.3 | 303. | N/A | Gibbard and Creek, 1974 | Based on data from 288. to 337. K. See also Boublik, Fried, et al., 1984.; AC |
35.2 ± 0.1 | 338. | C | Counsell and Lee, 1973 | AC |
35.6 ± 0.1 | 331. | C | Counsell and Lee, 1973 | AC |
36.2 ± 0.1 | 321. | C | Counsell and Lee, 1973 | AC |
37.0 ± 0.1 | 306. | C | Counsell and Lee, 1973 | AC |
36.7 ± 0.1 | 313. | C | Svoboda, Veselý, et al., 1973 | AC |
36.2 ± 0.1 | 323. | C | Svoboda, Veselý, et al., 1973 | AC |
35.6 ± 0.1 | 333. | C | Svoboda, Veselý, et al., 1973 | AC |
35.3 ± 0.1 | 338. | C | Svoboda, Veselý, et al., 1973 | AC |
34.7 ± 0.1 | 343. | C | Svoboda, Veselý, et al., 1973 | AC |
37.0 | 352. | N/A | Wilhoit and Zwolinski, 1973 | Based on data from 337. to 383. K.; AC |
38.7 | 290. | EB | Boublík and Aim, 1972 | Based on data from 275. to 336. K. See also Stephenson and Malanowski, 1987.; AC |
38.3 | 303. | EB | Ambrose and Sprake, 1970 | Based on data from 288. to 357. K.; AC |
36.3 | 368. | N/A | Hirata, Suda, et al., 1967 | Based on data from 353. to 483. K.; AC |
38.4 | 293. | N/A | Klyueva, Mischenko, et al., 1960 | Based on data from 278. to 323. K.; AC |
Enthalpy of vaporization
ΔvapH = A exp(-αTr)
(1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kJ/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | 298. to 477. |
---|---|
A (kJ/mol) | 45.3 |
α | -0.31 |
β | 0.4241 |
Tc (K) | 512.6 |
Reference | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
353.5 to 512.63 | 5.15853 | 1569.613 | -34.846 | Ambrose, Sprake, et al., 1975 | Coefficents calculated by NIST from author's data. |
288.1 to 356.83 | 5.20409 | 1581.341 | -33.50 | Ambrose and Sprake, 1970 | Coefficents calculated by NIST from author's data. |
353. to 483. | 5.31301 | 1676.569 | -21.728 | Hirata and Suda, 1967 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
3.18 | 175.3 | Domalski and Hearing, 1996 | AC |
2.196 | 176. | Maass and Walbauer, 1925 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
12.5 | 176. | Maass and Walbauer, 1925 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
3.7 | 161.1 | Domalski and Hearing, 1996 | CAL |
18.1 | 175.3 | ||
4.0 | 157.3 | ||
18.3 | 175.6 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.6360 | 157.34 | crystaline, II | crystaline, I | Carlson and Westrum, 1971 | DH |
3.2154 | 175.59 | crystaline, I | liquid | Carlson and Westrum, 1971 | DH |
1.540 | 103. | crystaline | glass | Sugisaki, Suga, et al., 1968 | Glass transition.; DH |
0.711 | 157.8 | crystaline, II | crystaline, I | Staveley and Gupta, 1949 | DH |
3.159 | 175.4 | crystaline, I | liquid | Staveley and Gupta, 1949 | DH |
0.6456 | 157.4 | crystaline, II | crystaline, I | Kelley, 1929 | DH |
3.167 | 175.2 | crystaline, I | liquid | Kelley, 1929 | DH |
0.590 | 161.1 | crystaline, II | crystaline, I | Parks, 1925 | DH |
3.176 | 175.3 | crystaline, I | liquid | Parks, 1925 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
4.04 | 157.34 | crystaline, II | crystaline, I | Carlson and Westrum, 1971 | DH |
18.31 | 175.59 | crystaline, I | liquid | Carlson and Westrum, 1971 | DH |
14.95 | 103. | crystaline | glass | Sugisaki, Suga, et al., 1968 | Glass; DH |
4.51 | 157.8 | crystaline, II | crystaline, I | Staveley and Gupta, 1949 | DH |
18.01 | 175.4 | crystaline, I | liquid | Staveley and Gupta, 1949 | DH |
4.10 | 157.4 | crystaline, II | crystaline, I | Kelley, 1929 | DH |
18.08 | 175.2 | crystaline, I | liquid | Kelley, 1929 | DH |
3.66 | 161.1 | crystaline, II | crystaline, I | Parks, 1925 | DH |
18.12 | 175.3 | crystaline, I | liquid | Parks, 1925 | DH |
Gas phase ion energetics data
Go To: Top, Phase change data, Ion clustering data, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to CH4O+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.84 ± 0.01 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 754.3 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 724.5 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
Appearance energy determinations
De-protonation reactions
CH3O- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1597. ± 8. | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1573.3 ± 2.6 | kJ/mol | H-TS | Nee, Osterwalder, et al., 2006 | gas phase; B |
ΔrG° | 1573.4 ± 2.3 | kJ/mol | H-TS | Osborn, Leahy, et al., 1998 | gas phase; B |
ΔrG° | 1565. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; The acidity is 1.2 kcal/mol stronger than that from the D-EA cycle, due to the multi-compound fit for the acidity scale.; value altered from reference due to change in acidity scale; B |
ΔrG° | 1567. ± 8.8 | kJ/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy.; B |
ΔrG° | 1569.4 ± 2.5 | kJ/mol | TDEq | Meot-ner and Sieck, 1986 | gas phase; Experimental entropy: 21.5 eu, 0.6 less than H2O; B |
Ion clustering data
Go To: Top, Phase change data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: Br- + CH4O = (Br- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60.67 ± 0.42 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 58.2 ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 73.6 | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 33.5 ± 0.42 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 36. ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
ΔrG° | 35. ± 8.4 | kJ/mol | IMRE | Tanabe, Morgon, et al., 1996 | gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B |
By formula: (Br- • CH4O) + CH4O = (Br- • 2CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 50.21 ± 0.84 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 52.3 ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 86.6 | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 23.5 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 26. ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (Br- • 2CH4O) + CH4O = (Br- • 3CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.7 ± 2.1 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 44.4 ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 90.4 | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 17.8 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 18. ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (Br- • 3CH4O) + CH4O = (Br- • 4CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 97.1 | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 13. ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (Br- • 4CH4O) + CH4O = (Br- • 5CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 105. | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.6 ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (Br- • 5CH4O) + CH4O = (Br- • 6CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 98.7 | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.8 ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (Br- • 6CH4O) + CH4O = (Br- • 7CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 95.8 | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.1 ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (Br- • 7CH4O) + CH4O = (Br- • 8CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 35. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96.7 | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.3 ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (Br- • 8CH4O) + CH4O = (Br- • 9CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 34. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; Entropy estimated.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Hiraoka and Yamabe, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.4 ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; Entropy estimated.; B |
By formula: (Br- • 9CH4O) + CH4O = (Br- • 10CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 33. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; Entropy estimated.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Hiraoka and Yamabe, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.6 ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; Entropy estimated.; B |
By formula: CHO- + CH4O = (CHO- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 120. | kJ/mol | PHPMS | Meot-ner and Sieck, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 112. | J/mol*K | PHPMS | Meot-ner and Sieck, 1986 | gas phase; M |
By formula: CHO2- + CH4O = (CHO2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 73.6 ± 4.2 | kJ/mol | N/A | Meot-Ner and Sieck, 1986 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 98.7 | J/mol*K | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 43.9 ± 6.7 | kJ/mol | TDAs | Meot-Ner and Sieck, 1986 | gas phase; B |
By formula: CH3O- + CH4O = (CH3O- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 123. ± 4.2 | kJ/mol | TDAs | Paul and Kebarle, 1990 | gas phase; B,M |
ΔrH° | 120.5 ± 1.3 | kJ/mol | TDAs | Meot-ner and Sieck, 1986 | gas phase; B,M |
ΔrH° | 123. ± 10. | kJ/mol | TDAs | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B |
ΔrH° | 79.5 ± 8.4 | kJ/mol | N/A | Moylan, Dodd, et al., 1985 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 133. | J/mol*K | PHPMS | Paul and Kebarle, 1990 | gas phase; M |
ΔrS° | 112. | J/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 84.94 | kJ/mol | IMRE | Mustanir, Matsuoka, et al., 2006 | gas phase; B |
ΔrG° | 82.8 ± 4.2 | kJ/mol | TDAs | Paul and Kebarle, 1990 | gas phase; B |
ΔrG° | 87.0 ± 2.1 | kJ/mol | TDAs | Meot-ner and Sieck, 1986 | gas phase; B |
ΔrG° | 84.9 ± 6.7 | kJ/mol | TDAs | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
79.9 | 296. | FA | MacKay and Bohme, 1978 | gas phase; From thermochemical cycle,switching reaction(CH3O-)H2O; Meot-Ner(Mautner), 1986; M |
By formula: (CH3O- • CH4O) + CH4O = (CH3O- • 2CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 89.5 | kJ/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 116. | J/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
By formula: (CH3O- • 2CH4O) + CH4O = (CH3O- • 3CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 62.8 | kJ/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
By formula: (CH3O- • 3CH4O) + CH4O = (CH3O- • 4CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 47.7 | kJ/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 93.7 | J/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
By formula: (CH3O- • H2O) + CH4O = (CH3O- • CH4O • H2O)
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
57.3 | 296. | FA | MacKay and Bohme, 1978 | gas phase; From thermochemical cycle,switching reaction(CH3O-)2H2O; Meot-Ner(Mautner), 1986; M |
By formula: CH5O+ + CH4O = (CH5O+ • CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 136. | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrH° | 135. | kJ/mol | PHPMS | Szulejko and McMahon, 1992 | gas phase; M |
ΔrH° | 134. | kJ/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; M |
ΔrH° | 138. | kJ/mol | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
ΔrH° | 141. | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O; Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 121. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrS° | 122. | J/mol*K | PHPMS | Szulejko and McMahon, 1992 | gas phase; M |
ΔrS° | 111. | J/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; M |
ΔrS° | 128. | J/mol*K | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
ΔrS° | 119. | J/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O; Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 105. | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O; Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: (CH5O+ • CH4O) + CH4O = (CH5O+ • 2CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 88.7 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrH° | 87.9 | kJ/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; M |
ΔrH° | 89.1 | kJ/mol | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 113. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrS° | 108. | J/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; M |
ΔrS° | 118. | J/mol*K | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
By formula: (CH5O+ • 2CH4O) + CH4O = (CH5O+ • 3CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 58.6 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrH° | 67.4 | kJ/mol | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrS° | 121. | J/mol*K | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
By formula: (CH5O+ • 3CH4O) + CH4O = (CH5O+ • 4CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 47.3 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrH° | 56.5 | kJ/mol | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 93.3 | J/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrS° | 120. | J/mol*K | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
By formula: (CH5O+ • 4CH4O) + CH4O = (CH5O+ • 5CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 42.7 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrH° | 52.3 | kJ/mol | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 98.3 | J/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrS° | 130. | J/mol*K | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
By formula: (CH5O+ • 5CH4O) + CH4O = (CH5O+ • 6CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39. | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrH° | 49.8 | kJ/mol | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 98.3 | J/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrS° | 138. | J/mol*K | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
By formula: (CH5O+ • 6CH4O) + CH4O = (CH5O+ • 7CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38. | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrH° | 50.2 | kJ/mol | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 108. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrS° | 149. | J/mol*K | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
By formula: (CH5O+ • 7CH4O) + CH4O = (CH5O+ • 8CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39. | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 113. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
By formula: (CH5O+ • 8CH4O) + CH4O = (CH5O+ • 9CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38. | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
16. | 200. | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
By formula: (CH5O+ • 9CH4O) + CH4O = (CH5O+ • 10CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36. | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
15. | 200. | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
By formula: (CH5O+ • 10CH4O) + CH4O = (CH5O+ • 11CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36. | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
16. | 184. | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
By formula: (CH5O+ • 11CH4O) + CH4O = (CH5O+ • 12CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36. | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
15. | 184. | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
By formula: (CH5O+ • 12CH4O) + CH4O = (CH5O+ • 13CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36. | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
16. | 184. | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
(CH5O+ • • ) + = (CH5O+ • 2 • )
By formula: (CH5O+ • CH4O • H2O) + CH4O = (CH5O+ • 2CH4O • H2O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 68.6 | kJ/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 111. | J/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
By formula: (CH5O+ • H2O) + CH4O = (CH5O+ • CH4O • H2O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 103. | kJ/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 120. | J/mol*K | N/A | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
48.5 | 452. | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
By formula: (CH5O+ • 2H2O) + CH4O = (CH5O+ • CH4O • 2H2O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 75.3 | kJ/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
By formula: CH6N+ + CH4O = (CH6N+ • CH4O)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 79.5 | kJ/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 101. | J/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
By formula: CN- + CH4O = (CN- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 65.7 ± 3.3 | kJ/mol | TDAs | Larson, Szulejko, et al., 1988 | gas phase; B,M |
ΔrH° | 69.5 ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988 | gas phase; B |
ΔrH° | 69. ± 15. | kJ/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | PHPMS | Larson, Szulejko, et al., 1988 | gas phase; M |
ΔrS° | 102. | J/mol*K | N/A | Larson and McMahon, 1987 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 36.8 ± 0.84 | kJ/mol | TDAs | Larson, Szulejko, et al., 1988 | gas phase; B |
ΔrG° | 43.5 ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988 | gas phase; B |
ΔrG° | 38. ± 9.6 | kJ/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
By formula: C2H- + CH4O = C3H5O-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 90.4 ± 8.4 | kJ/mol | IMRE | Chabinyc and Brauman, 1999 | gas phase; Anchored to MeOH ΔGacid=375.2; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 45.61 | kJ/mol | IMRE | Mustanir, Matsuoka, et al., 2006 | gas phase; B |
ΔrG° | 48.5 ± 8.4 | kJ/mol | IMRE | Chabinyc and Brauman, 1999 | gas phase; Anchored to MeOH ΔGacid=375.2; B |
By formula: C2H3O2- + CH4O = (C2H3O2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 73.6 ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 43.9 ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988 | gas phase; B |
By formula: (C2H4N+ • CH4O) + CH4O = (C2H4N+ • 2CH4O)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 87.4 | kJ/mol | PHPMS | El-Shall, Olafsdottir, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 109. | J/mol*K | PHPMS | El-Shall, Olafsdottir, et al., 1991 | gas phase; M |
By formula: (C2H4N+ • 2CH4O) + CH4O = (C2H4N+ • 3CH4O)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 58.2 | kJ/mol | PHPMS | El-Shall, Olafsdottir, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 102. | J/mol*K | PHPMS | El-Shall, Olafsdottir, et al., 1991 | gas phase; M |
(C2H4N+ • • ) + = (C2H4N+ • 2 • )
By formula: (C2H4N+ • CH4O • C2H3N) + CH4O = (C2H4N+ • 2CH4O • C2H3N)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 57.3 | kJ/mol | PHPMS | El-Shall, Olafsdottir, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 101. | J/mol*K | PHPMS | El-Shall, Olafsdottir, et al., 1991 | gas phase; M |
By formula: C2H4NO2- + CH4O = C3H8NO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 71.1 ± 2.1 | kJ/mol | TDAs | Nieckarz, Atkins, et al., 2008 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 40. ± 4.2 | kJ/mol | TDAs | Nieckarz, Atkins, et al., 2008 | gas phase; B |
By formula: C2H5O+ + CH4O = (C2H5O+ • CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 127. | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 113. | J/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 93.3 | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C2H5O- + CH4O = (C2H5O- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 114. ± 12. | kJ/mol | IMRE | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M |
ΔrH° | 107. ± 7.9 | kJ/mol | CIDT | DeTuri and Ervin, 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 123. | J/mol*K | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 77.8 ± 8.4 | kJ/mol | IMRE | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
56.1 | 296. | FA | Mackay, Rakshit, et al., 1982 | gas phase; From thermochemical cycle,switching reaction(CH3O-)CH3OH; Caldwell and Kebarle, 1986, Taft, 1983; M |
By formula: C2H7O+ + CH4O = (C2H7O+ • CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 110. | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 113. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ • CH4O) + CH4O = (C2H7O+ • 2CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 78.7 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 121. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ • 2CH4O) + CH4O = (C2H7O+ • 3CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66.5 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 131. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ • 3CH4O) + CH4O = (C2H7O+ • 4CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 57.3 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 129. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • • ) + = (C2H7O+ • 2 • )
By formula: (C2H7O+ • CH4O • C2H6O) + CH4O = (C2H7O+ • 2CH4O • C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 63.2 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 128. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • 2 • ) + = (C2H7O+ • 3 • )
By formula: (C2H7O+ • 2CH4O • C2H6O) + CH4O = (C2H7O+ • 3CH4O • C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.0 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 111. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ • C2H6O) + CH4O = (C2H7O+ • CH4O • C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 75.7 | kJ/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 128. | J/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: C2H7O+ + CH4O = (C2H7O+ • CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 124. | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 111. | J/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 90.8 | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C2H7O2- + 2CH4O = C3H11O3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 89.5 ± 4.2 | kJ/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 54.8 ± 2.1 | kJ/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
By formula: C2H7O2- + H2O + CH4O = C2H9O3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 74.5 ± 4.2 | kJ/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 42.3 ± 2.1 | kJ/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
By formula: C2H9O3- + 2H2O + CH4O = C2H11O4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 63.6 ± 4.2 | kJ/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 28.9 ± 2.1 | kJ/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
By formula: C3H3N2- + CH4O = (C3H3N2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 71.5 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 101. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
By formula: C3H7O+ + CH4O = (C3H7O+ • CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 54.8 | kJ/mol | PHPMS | Meot-Ner (Mautner), Ross, et al., 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 89.1 | J/mol*K | PHPMS | Meot-Ner (Mautner), Ross, et al., 1985 | gas phase; M |
By formula: C3H7O- + CH4O = (C3H7O- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 113. ± 12. | kJ/mol | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 123. | J/mol*K | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 76.1 ± 8.4 | kJ/mol | IMRE | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M |
By formula: C3H9Si+ + CH4O = (C3H9Si+ • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 164. | kJ/mol | PHPMS | Wojtyniak and Stone, 1986 | gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 124. | J/mol*K | N/A | Wojtyniak and Stone, 1986 | gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
106. | 468. | PHPMS | Wojtyniak and Stone, 1986 | gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M |
By formula: C3H9Sn+ + CH4O = (C3H9Sn+ • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 136. | kJ/mol | PHPMS | Stone and Splinter, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 130. | J/mol*K | PHPMS | Stone and Splinter, 1984 | gas phase; M |
By formula: C3H10N+ + CH4O = (C3H10N+ • CH4O)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 63.2 | kJ/mol | PHPMS | El-Shall, Daly, et al., 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 87.9 | J/mol*K | PHPMS | El-Shall, Daly, et al., 1992 | gas phase; M |
(C3H10N+ • ) + = (C3H10N+ • 2)
By formula: (C3H10N+ • CH4O) + CH4O = (C3H10N+ • 2CH4O)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 49.0 | kJ/mol | PHPMS | El-Shall, Daly, et al., 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 99.6 | J/mol*K | PHPMS | El-Shall, Daly, et al., 1992 | gas phase; M |
(C3H10N+ • 2) + = (C3H10N+ • 3)
By formula: (C3H10N+ • 2CH4O) + CH4O = (C3H10N+ • 3CH4O)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43.9 | kJ/mol | PHPMS | El-Shall, Daly, et al., 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 113. | J/mol*K | PHPMS | El-Shall, Daly, et al., 1992 | gas phase; M |
(C3H10N+ • • ) + = (C3H10N+ • 2 • )
By formula: (C3H10N+ • CH4O • C3H9N) + CH4O = (C3H10N+ • 2CH4O • C3H9N)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40. | kJ/mol | PHPMS | El-Shall, Daly, et al., 1992 | gas phase; M |
(C3H10N+ • ) + = (C3H10N+ • • )
By formula: (C3H10N+ • C3H9N) + CH4O = (C3H10N+ • CH4O • C3H9N)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44.4 | kJ/mol | PHPMS | El-Shall, Daly, et al., 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 105. | J/mol*K | PHPMS | El-Shall, Daly, et al., 1992 | gas phase; M |
By formula: C3H11O3- + 3CH4O = C4H15O4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 62.8 ± 4.2 | kJ/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 30.1 ± 2.1 | kJ/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
By formula: C3H11O3- + H2O + 2CH4O = C3H13O4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 57.7 ± 4.2 | kJ/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 26.8 ± 2.1 | kJ/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
By formula: C4H2O3- + CH4O = (C4H2O3- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 20. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
20. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C4H4N- + CH4O = (C4H4N- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 77.8 ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 115. | J/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 43.5 ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
By formula: C4H9O- + CH4O = (C4H9O- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 107. ± 4.2 | kJ/mol | TDEq | Meot-Ner and Sieck, 1986 | gas phase; B,M |
ΔrH° | 97.9 ± 9.2 | kJ/mol | CIDT | DeTuri and Ervin, 1999 | gas phase; B |
ΔrH° | 109. ± 10. | kJ/mol | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 117. | J/mol*K | N/A | Meot-Ner and Sieck, 1986 | gas phase; Entropy change calculated or estimated; M |
ΔrS° | 123. | J/mol*K | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 42.68 | kJ/mol | IMRE | Mustanir, Matsuoka, et al., 2006 | gas phase; B |
ΔrG° | 71.5 ± 6.7 | kJ/mol | TDEq | Meot-Ner and Sieck, 1986 | gas phase; B |
ΔrG° | 72.4 ± 6.7 | kJ/mol | IMRE | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; B,M |
By formula: C4H11O2+ + CH4O = (C4H11O2+ • CH4O)
Bond type: Hydrogen bonds between protonated and neutral organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 92.0 | kJ/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 118. | J/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
(C4H11O2+ • ) + = (C4H11O2+ • 2)
By formula: (C4H11O2+ • CH4O) + CH4O = (C4H11O2+ • 2CH4O)
Bond type: Hydrogen bonds between protonated and neutral organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60.2 | kJ/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 98.7 | J/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
(C4H11O2+ • 2) + = (C4H11O2+ • 3)
By formula: (C4H11O2+ • 2CH4O) + CH4O = (C4H11O2+ • 3CH4O)
Bond type: Hydrogen bonds between protonated and neutral organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52.7 | kJ/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 105. | J/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
(C4H11O2+ • 3) + = (C4H11O2+ • 4)
By formula: (C4H11O2+ • 3CH4O) + CH4O = (C4H11O2+ • 4CH4O)
Bond type: Hydrogen bonds between protonated and neutral organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 42.7 | kJ/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 93.3 | J/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
(C4H11O2+ • 4) + = (C4H11O2+ • 5)
By formula: (C4H11O2+ • 4CH4O) + CH4O = (C4H11O2+ • 5CH4O)
Bond type: Hydrogen bonds between protonated and neutral organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38. | kJ/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92.9 | J/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
(C4H11O2+ • 5) + = (C4H11O2+ • 6)
By formula: (C4H11O2+ • 5CH4O) + CH4O = (C4H11O2+ • 6CH4O)
Bond type: Hydrogen bonds between protonated and neutral organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37. | kJ/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
By formula: C4H15O4- + 4CH4O = C5H19O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 47.7 ± 4.2 | kJ/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 19.7 ± 2.1 | kJ/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
By formula: C5H5- + CH4O = (C5H5- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 55.2 ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 29. ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
By formula: C5H11O- + CH4O = (C5H11O- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 108. ± 12. | kJ/mol | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 71.1 ± 8.4 | kJ/mol | IMRE | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B |
By formula: C6F4O2- + CH4O = (C6F4O2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 13. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
13. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
C6H4ClNO2- + = (C6H4ClNO2- • )
By formula: C6H4ClNO2- + CH4O = (C6H4ClNO2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 23. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
23. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
C6H4ClNO2- + = (C6H4ClNO2- • )
By formula: C6H4ClNO2- + CH4O = (C6H4ClNO2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 23. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
23. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
C6H4ClNO2- + = (C6H4ClNO2- • )
By formula: C6H4ClNO2- + CH4O = (C6H4ClNO2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 23. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
23. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C6H4FNO2- + CH4O = (C6H4FNO2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 24. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
24. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C6H4FNO2- + CH4O = (C6H4FNO2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 25. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
25. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C6H4FNO2- + CH4O = (C6H4FNO2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66.1 ± 8.4 | kJ/mol | N/A | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 125. | J/mol*K | PHPMS | Chowdhury, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 23. ± 8.4 | kJ/mol | TDAs | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
By formula: C6H4NO3- + CH4O = (C6H4NO3- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 21. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
By formula: C6H4NO3- + CH4O = (C6H4NO3- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 24. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
By formula: C6H4N2O4- + CH4O = (C6H4N2O4- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 9.6 ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.6 | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C6H4N2O4- + CH4O = (C6H4N2O4- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 14. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
14. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C6H4N2O4- + CH4O = (C6H4N2O4- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 16. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
16. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C6H4O2- + CH4O = (C6H4O2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 23. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
23. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C6H5NO2- + CH4O = (C6H5NO2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 63.18 ± 0.84 | kJ/mol | TDAs | Sieck, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 109. | J/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 30.5 ± 1.7 | kJ/mol | TDAs | Sieck, 1985 | gas phase; B |
ΔrG° | 26. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
26. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C6H5S- + CH4O = (C6H5S- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.1 | kJ/mol | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96.2 | J/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
+ = C7H9OS-
By formula: C6H5S- + CH4O = C7H9OS-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.07 ± 0.42 | kJ/mol | TDAs | Sieck and Meot-ner, 1989 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 27.2 ± 1.3 | kJ/mol | TDAs | Sieck and Meot-ner, 1989 | gas phase; B |
By formula: C6H9- + CH4O = C7H13O-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 87.0 ± 8.4 | kJ/mol | IMRE | Chabinyc and Brauman, 1999 | gas phase; Anchored to MeOH ΔGacid=375.2; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 48.12 | kJ/mol | IMRE | Mustanir, Matsuoka, et al., 2006 | gas phase; B |
ΔrG° | 44.8 ± 8.4 | kJ/mol | IMRE | Chabinyc and Brauman, 1999 | gas phase; Anchored to MeOH ΔGacid=375.2; B |
By formula: C6H11S2- + CH4O = (C6H11S2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 92. ± 10. | kJ/mol | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 55.2 ± 6.7 | kJ/mol | IMRE | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B |
By formula: C7F14- + CH4O = (C7F14- • CH4O)
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
27. | 308. | PHPMS | Knighton, Zook, et al., 1990 | gas phase; M |
C7H4F3NO2- + = (C7H4F3NO2- • )
By formula: C7H4F3NO2- + CH4O = (C7H4F3NO2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 61.1 ± 8.4 | kJ/mol | N/A | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 21. ± 6.7 | kJ/mol | TDAs | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
By formula: C7H4N2O2- + CH4O = (C7H4N2O2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 20. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
20. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C7H4N2O2- + CH4O = (C7H4N2O2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 19. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
19. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C7H4N2O2- + CH4O = (C7H4N2O2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 58.2 ± 8.4 | kJ/mol | N/A | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 120. | J/mol*K | PHPMS | Chowdhury, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 17. ± 8.4 | kJ/mol | TDAs | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
By formula: C7H7NO2- + CH4O = (C7H7NO2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 26. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
26. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C7H7NO2- + CH4O = (C7H7NO2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 27. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
27. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C7H7NO2- + CH4O = (C7H7NO2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 27. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
By formula: C7H7NO3- + CH4O = (C7H7NO3- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 26. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
26. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C7H7NO3- + CH4O = (C7H7NO3- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 59.8 ± 8.4 | kJ/mol | N/A | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 97.9 | J/mol*K | PHPMS | Chowdhury, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 26. ± 8.4 | kJ/mol | TDAs | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
By formula: C8H5- + CH4O = (C8H5- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 90.0 ± 8.4 | kJ/mol | IMRE | Chabinyc and Brauman, 1999 | gas phase; B |
ΔrH° | 90. ± 12. | kJ/mol | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 123. | J/mol*K | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 46.0 ± 8.4 | kJ/mol | IMRE | Chabinyc and Brauman, 1999 | gas phase; B |
ΔrG° | 53.1 ± 8.4 | kJ/mol | IMRE | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M |
By formula: C8H9NO2- + CH4O = (C8H9NO2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 26. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
26. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C8H17O4+ + CH4O = (C8H17O4+ • CH4O)
Bond type: Hydrogen bonds with polydentate bonding in positive ions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 81.6 | kJ/mol | PHPMS | Sharma and Kebarle, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 142. | J/mol*K | PHPMS | Sharma and Kebarle, 1984 | gas phase; M |
By formula: C9H7- + CH4O = C10H11O-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 90.4 ± 8.4 | kJ/mol | IMRE | Chabinyc and Brauman, 1999 | gas phase; Anchored to MeOH ΔGacid=375.2; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 42.68 | kJ/mol | IMRE | Mustanir, Matsuoka, et al., 2006 | gas phase; B |
ΔrG° | 46.4 ± 8.4 | kJ/mol | IMRE | Chabinyc and Brauman, 1999 | gas phase; Anchored to MeOH ΔGacid=375.2; B |
C10H4Cl2O2- + = (C10H4Cl2O2- • )
By formula: C10H4Cl2O2- + CH4O = (C10H4Cl2O2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | <6.3 ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.3 | 343. | PHPMS | Chowdhury, 1987 | gas phase; DG<; M |
By formula: C10H6O2- + CH4O = (C10H6O2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 19. ± 6.7 | kJ/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
19. | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C10H21O5+ + CH4O = (C10H21O5+ • CH4O)
Bond type: Hydrogen bonds with polydentate bonding in positive ions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 83.7 | kJ/mol | PHPMS | Sharma and Kebarle, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 117. | J/mol*K | PHPMS | Sharma and Kebarle, 1984 | gas phase; M |
By formula: C12H25O6+ + CH4O = (C12H25O6+ • CH4O)
Bond type: Hydrogen bonds with polydentate bonding in positive ions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 83.7 | kJ/mol | PHPMS | Sharma and Kebarle, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 123. | J/mol*K | PHPMS | Sharma and Kebarle, 1984 | gas phase; M |
By formula: Cl- + CH4O = (Cl- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 69. ± 10. | kJ/mol | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 94.6 | J/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
ΔrS° | 101. | J/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
ΔrS° | 92.0 | J/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
ΔrS° | 95.8 | J/mol*K | N/A | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
ΔrS° | 61.9 | J/mol*K | PHPMS | Yamdagni, Payzant, et al., 1973 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 42. ± 3. | kJ/mol | AVG | N/A | Average of 10 values; Individual data points |
By formula: (Cl- • CH4O) + CH4O = (Cl- • 2CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 59.0 ± 1.7 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 57.32 ± 0.84 | kJ/mol | TDAs | Evans and Keesee, 1991 | gas phase; B,M |
ΔrH° | 59.0 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
ΔrH° | 54.4 ± 2.9 | kJ/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 101. | J/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
ΔrS° | 92.0 | J/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
ΔrS° | 81.2 | J/mol*K | PHPMS | Yamdagni, Payzant, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 30.5 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 29.7 | kJ/mol | TDAs | Evans and Keesee, 1991 | gas phase; B |
ΔrG° | 28. ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
ΔrG° | 30.1 ± 1.7 | kJ/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B |
By formula: (Cl- • 2CH4O) + CH4O = (Cl- • 3CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 48.12 ± 0.84 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 45.2 ± 1.3 | kJ/mol | TDAs | Evans and Keesee, 1991 | gas phase; B,M |
ΔrH° | 49.4 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
ΔrH° | 51.5 ± 2.5 | kJ/mol | N/A | Yamdagni, Payzant, et al., 1973 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 95.8 | J/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
ΔrS° | 95.0 | J/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
ΔrS° | 98.7 | J/mol*K | PHPMS | Yamdagni, Payzant, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 21.2 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 16.7 | kJ/mol | TDAs | Evans and Keesee, 1991 | gas phase; B |
ΔrG° | 21. ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
ΔrG° | 21.8 ± 1.3 | kJ/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B |
By formula: (Cl- • 3CH4O) + CH4O = (Cl- • 4CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43.9 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
ΔrH° | 43.93 | kJ/mol | TDAs | Evans and Keesee, 1991 | gas phase; B |
ΔrH° | 46.9 ± 2.5 | kJ/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 95.8 | J/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
ΔrS° | 110. | J/mol*K | PHPMS | Yamdagni, Payzant, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 15. ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
ΔrG° | 15.5 | kJ/mol | TDAs | Evans and Keesee, 1991 | gas phase; B |
ΔrG° | 13.8 ± 0.84 | kJ/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B |
By formula: (Cl- • 4CH4O) + CH4O = (Cl- • 5CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38. ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
ΔrH° | 43.9 ± 2.1 | kJ/mol | N/A | Yamdagni, Payzant, et al., 1973 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 90.8 | J/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
ΔrS° | 107. | J/mol*K | PHPMS | Yamdagni, Payzant, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11. ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
ΔrG° | 12.1 ± 0.42 | kJ/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B |
By formula: (Cl- • 5CH4O) + CH4O = (Cl- • 6CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37. ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92.9 | J/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.2 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
By formula: (Cl- • 6CH4O) + CH4O = (Cl- • 7CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 33. ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84.1 | J/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.4 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
By formula: (Cl- • 7CH4O) + CH4O = (Cl- • 8CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32. ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 82.4 | J/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.1 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
By formula: (Cl- • 8CH4O) + CH4O = (Cl- • 9CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32. ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 86.2 | J/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.9 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
By formula: (Cl- • 9CH4O) + CH4O = (Cl- • 10CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 31. ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84.1 | J/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.9 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
By formula: (Cl- • 10CH4O) + CH4O = (Cl- • 11CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 31. ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Hiraoka and Mizuse, 1987 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.4 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B |
By formula: (Cl- • CH4O • H2O) + CH4O = (Cl- • 2CH4O • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 45.2 | kJ/mol | HPMS | Evans and Keesee, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 79. | J/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
By formula: (Cl- • H2O) + CH4O = (Cl- • CH4O • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 55.2 | kJ/mol | HPMS | Evans and Keesee, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 87.4 | J/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
By formula: (Cl- • 2H2O) + CH4O = (Cl- • CH4O • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 47.7 | kJ/mol | HPMS | Evans and Keesee, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 75.7 | J/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
By formula: Co+ + CH4O = (Co+ • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 148. ± 7.9 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: Cu+ + CH4O = (Cu+ • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.1 | kJ/mol | HPMS | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 25. | kJ/mol | HPMS | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
By formula: (Cu+ • CH4O) + CH4O = (Cu+ • 2CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 57.7 | kJ/mol | HPMS | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 26. | kJ/mol | HPMS | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
+ = CH3D4FO-
By formula: F- + CH4O = CH3D4FO-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 125. ± 8.4 | kJ/mol | TDEq | Wilkinson, Szulejko, et al., 1992 | gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 93.7 ± 8.4 | kJ/mol | TDEq | Wilkinson, Szulejko, et al., 1992 | gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B |
By formula: F- + CH4O = (F- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 124. ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1983 | gas phase; B,M |
ΔrH° | 123. ± 9.2 | kJ/mol | CIDT | DeTuri and Ervin, 1999 | gas phase; B |
ΔrH° | 97.5 ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 105. | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
ΔrS° | 94.6 | J/mol*K | N/A | Larson and McMahon, 1983 | gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 95.4 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1983 | gas phase; B,M |
ΔrG° | 66.1 ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (F- • CH4O) + CH4O = (F- • 2CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 84.9 ± 1.3 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 80.8 ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 97.1 | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 54.27 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 51.9 ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (F- • 2CH4O) + CH4O = (F- • 3CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 63.2 ± 2.5 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 60.7 ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 88.7 | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 33.7 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 34. ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (F- • 3CH4O) + CH4O = (F- • 4CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52.3 ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 98.3 | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 23. ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (F- • 4CH4O) + CH4O = (F- • 5CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 49.8 ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 114. | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 16. ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (F- • 5CH4O) + CH4O = (F- • 6CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 48.1 ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 125. | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11. ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (F- • 6CH4O) + CH4O = (F- • 7CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 107. | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.2 ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (F- • 7CH4O) + CH4O = (F- • 8CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 112. | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.1 ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (F- • 8CH4O) + CH4O = (F- • 9CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 108. | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.3 ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (F- • 9CH4O) + CH4O = (F- • 10CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 105. | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.4 ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (F- • 10CH4O) + CH4O = (F- • 11CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 107. | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.2 ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (F- • 11CH4O) + CH4O = (F- • 12CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; Entropy estimated.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Hiraoka and Yamabe, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.6 ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; Entropy estimated.; B |
By formula: F6S- + CH4O = (F6S- • CH4O)
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
19. | 308. | PHPMS | Knighton, Zook, et al., 1990 | gas phase; M |
By formula: HS- + CH4O = (HS- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 71.1 ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 46.0 ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988 | gas phase; B |
By formula: H4ClO2- + CH4O + 2H2O = CH8ClO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43.51 ± 0.84 | kJ/mol | TDAs | Evans and Keesee, 1991 | gas phase; B |
ΔrH° | 47.7 ± 1.3 | kJ/mol | TDAs | Evans and Keesee, 1991 | gas phase; For solvation by MeOH of core ion; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 24.3 | kJ/mol | TDAs | Evans and Keesee, 1991 | gas phase; B |
ΔrG° | 25.1 | kJ/mol | TDAs | Evans and Keesee, 1991 | gas phase; For solvation by MeOH of core ion; B |
By formula: I- + CH4O = (I- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 49.79 ± 0.84 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 47.3 ± 4.2 | kJ/mol | TDAs | Caldwell and Kebarle, 1984 | gas phase; B,M |
ΔrH° | 46.9 | kJ/mol | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
ΔrH° | 46. | kJ/mol | PHPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 71.5 | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
ΔrS° | 74.5 | J/mol*K | PHPMS | Caldwell and Kebarle, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 24.1 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 25. ± 4.2 | kJ/mol | TDAs | Caldwell and Kebarle, 1984 | gas phase; B |
ΔrG° | 24. ± 8.4 | kJ/mol | IMRE | Tanabe, Morgon, et al., 1996 | gas phase; Anchored to H2O..I- of Caldwell and Kebarle, 1984; B |
By formula: (I- • CH4O) + CH4O = (I- • 2CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.7 ± 0.84 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 46.4 ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 94.6 | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 17.8 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 18. ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (I- • 2CH4O) + CH4O = (I- • 3CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32.2 ± 2.5 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 41. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 93.7 | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 14.3 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 13. ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (I- • 3CH4O) + CH4O = (I- • 4CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 104. | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.6 ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (I- • 4CH4O) + CH4O = (I- • 5CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 113. | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.3 ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (I- • 5CH4O) + CH4O = (I- • 6CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 115. | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.9 ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (I- • 6CH4O) + CH4O = (I- • 7CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 117. | J/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.6 ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (I- • 7CH4O) + CH4O = (I- • 8CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38. ± 4.2 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; Entropy estimated.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 120. | J/mol*K | N/A | Hiraoka and Yamabe, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3. ± 8.4 | kJ/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; Entropy estimated.; B |
By formula: K+ + CH4O = (K+ • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 91.6 | kJ/mol | HPMS | Evans and Keesee, 1991 | gas phase; switching reaction,n(K+)H2O; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 132. | J/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; switching reaction,n(K+)H2O; M |
By formula: (K+ • CH4O) + CH4O = (K+ • 2CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 75.3 | kJ/mol | HPMS | Evans and Keesee, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 150. | J/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
By formula: (K+ • 2CH4O) + CH4O = (K+ • 3CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60.7 | kJ/mol | HPMS | Evans and Keesee, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 120. | J/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
By formula: (K+ • 3CH4O) + CH4O = (K+ • 4CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52.3 | kJ/mol | HPMS | Evans and Keesee, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 120. | J/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
By formula: (K+ • CH4O • H2O) + CH4O = (K+ • 2CH4O • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.5 | kJ/mol | HPMS | Evans and Keesee, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 114. | J/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
By formula: (K+ • 2CH4O • H2O) + CH4O = (K+ • 3CH4O • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52.3 | kJ/mol | HPMS | Evans and Keesee, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 107. | J/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
By formula: (K+ • H2O) + CH4O = (K+ • CH4O • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 82.0 | kJ/mol | HPMS | Evans and Keesee, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 136. | J/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
By formula: (K+ • 2H2O) + CH4O = (K+ • CH4O • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 69.5 | kJ/mol | HPMS | Evans and Keesee, 1991 | gas phase; switching reaction,n(K+)3H2O; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 129. | J/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; switching reaction,n(K+)3H2O; M |
By formula: Li+ + CH4O = (Li+ • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 154. ± 7.9 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 159. | kJ/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H20, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M |
ΔrH° | 160. | kJ/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | N/A | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H20, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 127. | kJ/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H20, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M |
By formula: Mg+ + CH4O = (Mg+ • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 145. ± 6.7 | kJ/mol | CIDT | Andersen, Muntean, et al., 2000 | RCD |
ΔrH° | 260. ± 20. | kJ/mol | PDiss | Operti, Tews, et al., 1988 | gas phase; M |
By formula: (Mg+ • CH4O) + CH4O = (Mg+ • 2CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 120. ± 6.7 | kJ/mol | CIDT | Andersen, Muntean, et al., 2000 | RCD |
By formula: (Mg+ • 2CH4O) + CH4O = (Mg+ • 3CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 91.6 ± 8.8 | kJ/mol | CIDT | Andersen, Muntean, et al., 2000 | RCD |
By formula: NO2- + CH4O = (NO2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 72.80 ± 0.84 | kJ/mol | TDAs | Sieck, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 108. | J/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 40.6 ± 1.7 | kJ/mol | TDAs | Sieck, 1985 | gas phase; B |
By formula: Na+ + CH4O = (Na+ • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 97.1 ± 5.4 | kJ/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
ΔrH° | 91.6 ± 5.9 | kJ/mol | CIDT | Armentrout and Rodgers, 2000 | RCD |
ΔrH° | 100. ± 0.8 | kJ/mol | HPMS | Hoyau, Norrman, et al., 1999 | RCD |
ΔrH° | 111. ± 0.8 | kJ/mol | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 85800. | J/mol*K | HPMS | Hoyau, Norrman, et al., 1999 | RCD |
ΔrS° | 102. | J/mol*K | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
72.4 | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
By formula: (Na+ • CH4O) + CH4O = (Na+ • 2CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 85.8 ± 5.9 | kJ/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
ΔrH° | 89.5 ± 6.7 | kJ/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
ΔrH° | 85.8 ± 6.7 | kJ/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
ΔrH° | 84.5 ± 0.8 | kJ/mol | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 90.8 | J/mol*K | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
By formula: (Na+ • 2CH4O) + CH4O = (Na+ • 3CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 73. ± 2. | kJ/mol | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 105. | J/mol*K | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
By formula: (Na+ • 3CH4O) + CH4O = (Na+ • 4CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 65.7 ± 0.8 | kJ/mol | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 126. | J/mol*K | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
By formula: O2- + CH4O = (O2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 79.91 | kJ/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 91.6 | J/mol*K | PHPMS | Yamdagni, Payzant, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 52.30 | kJ/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B |
By formula: (O2- • CH4O) + CH4O = (O2- • 2CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 64.9 ± 3.3 | kJ/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 104. | J/mol*K | PHPMS | Yamdagni, Payzant, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 33.9 ± 1.7 | kJ/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B |
By formula: (O2- • 2CH4O) + CH4O = (O2- • 3CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.5 ± 2.9 | kJ/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 117. | J/mol*K | PHPMS | Yamdagni, Payzant, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 21.8 ± 1.3 | kJ/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B |
By formula: Pb+ + CH4O = (Pb+ • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 97.5 ± 0.8 | kJ/mol | HPMS | Guo and Castleman, 1990 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 97.5 | J/mol*K | HPMS | Guo and Castleman, 1990 | gas phase; M |
By formula: (Pb+ • CH4O) + CH4O = (Pb+ • 2CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 72. ± 1. | kJ/mol | HPMS | Guo and Castleman, 1990 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 111. | J/mol*K | HPMS | Guo and Castleman, 1990 | gas phase; M |
Vibrational and/or electronic energy levels
Go To: Top, Phase change data, Gas phase ion energetics data, Ion clustering data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Takehiko Shimanouchi
Gas Symmetry: Cs Symmetry Number σ = 1
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a' | 1 | OH str | 3681 | A | 3681 M | gas | ||||
a' | 2 | CH3 d-str | 3000 | C | 3000 M | gas | ||||
a' | 3 | CH3 s-str | 2844 | A | 2844 S | gas | ||||
a' | 4 | CH3 d-deform | 1477 | B | 1477 M | gas | OV(ν10) | |||
a' | 5 | CH3 s-deform | 1455 | A | 1455 M | gas | ||||
a' | 6 | OH bend | 1345 | B | 1345 S | gas | ||||
a' | 7 | CH3 rock | 1060 | D | 1060 W | gas | OV(ν8) | |||
a' | 8 | CO str | 1033 | A | 1033 VS | gas | 1032 | gas | ||
a | 9 | CH3 d-str | 2960 | C | 2960 S | gas | 2955 | gas | ||
a | 10 | CH3 d-deform | 1477 | B | 1477 M | gas | OV(ν4) | |||
a | 11 | CH3 rock | 1165 | C | 1165 | liq. | ||||
a | 12 | Torsion | 295 | A | 80~300 | gas | ?/? Value of ν12 is undefined because of large coupling between internal & overall rotations. | |||
a | 12 | Torsion | 200 | E | 80~300 | gas | ?/? Value of ν12 is undefined because of large coupling between internal & overall rotations. | |||
Source: Shimanouchi, 1972
Liquid Symmetry: Cs Symmetry Number σ = 1
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a' | 1 | OH str | 3328 | D | 3328 vb | liq. | 3270-3480 | liq. | ||
a' | 2 | CH3 d-str | 2980 | C | 2980 M | liq. | 2993 | liq. | ||
a' | 3 | CH3 s-str | 2834 | C | 2834 S | liq. | 2834 | liq. | ||
a' | 4 | CH3 d-deform | 1480 | C | 1480 M | liq. | 1464 | liq. | OV(ν10) | |
a' | 5 | CH3 s-deform | 1450 | C | 1450 M | liq. | ||||
a' | 6 | OH bend | 1418 | C | 1418 M b | liq. | ||||
a' | 7 | CH3 rock | 1115 | C | 1115 M | liq. | 1107 | liq. | ||
a' | 8 | CO str | 1030 | C | 1030 VS | liq. | 1033 | liq. | ||
a | 9 | CH3 d-str | 2946 | C | 2946 S | liq. | 2940 | liq. | ||
a | 10 | CH3 d-deform | 1480 | C | 1480 M | liq. | 1464 | liq. | OV(ν4) | |
a | 11 | CH3 rock | 1165 | C | 1165 | liq. | ||||
a | 12 | Torsion | 655 | D | 655 vb | liq. | ||||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
b | Broad |
vb | Very broad |
OV | Overlapped by band indicated in parentheses. |
A | 0~1 cm-1 uncertainty |
B | 1~3 cm-1 uncertainty |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
E | 15~30 cm-1 uncertainty |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy Pc Critical pressure T Temperature Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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